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Multidimensional umbrella sampling and replica-exchange molecular dynamics simulations for structure prediction of transmembrane helix dimers.

Pai-Chi LiNaoyuki MiyashitaWonpil ImSatoshi IshidoYuji Sugita
Published in: J. Comput. Chem. (2014)
Keyphrases
  • prediction accuracy
  • database
  • scheduling problem
  • load balancing
  • molecular dynamics simulations